Information card for entry 7048816

Structure parameters

• Formula: C14 H21 Cl2 N3 O2 Zn
• Calculated formula: C14 H21 Cl2 N3 O2 Zn
• Title of publication: Tuning a robust system: N,O zinc guanidine catalysts for the ROP of lactide.
• Authors of publication: Schäfer, Pascal M; McKeown, Paul; Fuchs, Martin; Rittinghaus, Ruth D.; Hermann, Alina; Henkel, Johanna; Seidel, Sebastian; Roitzheim, Christoph; Ksiazkiewicz, Agnieszka N.; Hoffmann, Alexander; Pich, Andrij; Jones, Matthew D.; Herres-Pawlis, Sonja
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 18
• Pages of publication: 6071 - 6082
• a: 9.5828 ± 0.0004 Å
• b: 16.0067 ± 0.0007 Å
• c: 11.7969 ± 0.0005 Å
• α: 90°
• β: 104.917 ± 0.001°
• γ: 90°
• Cell volume: 1748.53 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No